1-Propyl-3-Methyl-7-(5-Hydroxyhexyl)Xanthine
[CAS# 56395-66-5]

Identification

• Name: 1-Propyl-3-Methyl-7-(5-Hydroxyhexyl)Xanthine
• Synonyms: 7-(5-Hydroxyhexyl)-3-Methyl-1-Propyl-Purine-2,6-Dione; 7-(5-Hydroxyhexyl)-3-Methyl-1-Propyl-Xanthine; A-730153
• Molecular Formula: C₁₅H₂₄N₄O₃
• Molecular Weight: 308.38
• CAS Registry Number: 56395-66-5
• SMILES: C1=NC2=C([N]1CCCCC(O)C)C(=O)N(C(=O)N2C)CCC
• InChI: 1S/C15H24N4O3/c1-4-8-19-14(21)12-13(17(3)15(19)22)16-10-18(12)9-6-5-7-11(2)20/h10-11,20H,4-9H2,1-3H3
• InChIKey: IRZCBLPIFWYWRG-UHFFFAOYSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 521.004°C at 760 mmHg (Cal.)
• Flash point: 268.894°C (Cal.)